Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.46 |
| ▸ | CNR1 | P21554 | 1/20 | 0.46 |
| ▸ | CNR2 | P34972 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | MPO | P05164 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.43 |
| ▸ | PDE10A | Q9Y233 | 3/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | CETP | P11597 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9382673 | 0.76 | TAAR1 (0.46) | CYP2D6TAAR1CYP1A2 | |
| SCHEMBL2838141 | 0.74 | CYP1A2 (0.65) | CYP2D6NFKB1TAAR1CYP1A2CYP2A6 | |
| SCHEMBL4948276 | 0.74 | DPYD (0.53) | MPOALOX5RAB9A | |
| SCHEMBL31588006 | 0.72 | HTR2C (0.47) | TAAR1MPO | |
| SCHEMBL5731861 | 0.71 | LTA4H (0.50) | CYP2D6 | |
| SCHEMBL2103758 | 0.71 | BACE1 (0.47) | CYP2D6NFKB1TAAR1CNR1CNR2 | |
| SCHEMBL5900962 | 0.71 | CYP1A2 (0.60) | CYP2D6NFKB1TAAR1CYP1A2CYP2A6 | |
| SCHEMBL28846677 | 0.71 | CYP1A2 (0.60) | CYP2D6NFKB1TAAR1CYP1A2CYP2A6 | |
| SCHEMBL3915675 | 0.71 | CYP3A4 (0.50) | — | |
| SCHEMBL598561 | 0.69 | CYP1A2 (0.58) | CYP2D6NFKB1TAAR1CYP1A2CYP2A6 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108689951-A | 3-triazole compounds and its application in agricultural | 东莞东阳光科研发有限公司 | 2018-10-23 | — | — | CN | disclosed |